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    Technical details about Upacicalcet Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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    Upacicalcet Sodium

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: 69zd4t6dw3, 2052969-18-1, L-alanine, 3-((((3-chloro-2-methyl-5-sulfophenyl)amino)carbonyl)amino)-, sodium salt (1:1), Unii-69zd4t6dw3, Schembl22578428
    Molecular Formula
    C11H13ClN3NaO6S
    Molecular Weight
    373.75  g/mol
    InChI Key
    KUQQRUUFBPFDOW-QRPNPIFTSA-M
    FDA UNII
    69ZD4T6DW3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;3-[[(2S)-2-amino-2-carboxyethyl]carbamoylamino]-5-chloro-4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C11H14ClN3O6S.Na/c1-5-7(12)2-6(22(19,20)21)3-9(5)15-11(18)14-4-8(13)10(16)17;/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,18)(H,19,20,21);/q;+1/p-1/t8-;/m0./s1
    2.1.3 InChI Key
    KUQQRUUFBPFDOW-QRPNPIFTSA-M
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])NC(=O)NCC(C(=O)O)N.[Na+]
    2.1.5 Isomeric SMILES
    CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])NC(=O)NC[C@@H](C(=O)O)N.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    69ZD4T6DW3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 69zd4t6dw3

    2. 2052969-18-1

    3. L-alanine, 3-((((3-chloro-2-methyl-5-sulfophenyl)amino)carbonyl)amino)-, Sodium Salt (1:1)

    4. Unii-69zd4t6dw3

    5. Schembl22578428

    2.4 Create Date
    2019-12-06
    3 Chemical and Physical Properties
    Molecular Weight 373.75 g/mol
    Molecular Formula C11H13ClN3NaO6S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area170
    Heavy Atom Count23
    Formal Charge0
    Complexity528
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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